(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride

C13H20ClFN2O2 — CID 119274507

IUPAC(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(C)CCOc1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-3-11(15)13(17)16(2)8-9-18-12-7-5-4-6-10(12)14;/h4-7,11H,3,8-9,15H2,1-2H3;1H/t11-;/m0./s1
InChIKeyCWDXZNRPZCWHTO-MERQFXBCSA-N
MW290.77 g/mol
LogP1.82
Rot. Bonds6

About (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride

(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride (PubChem CID 119274507) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
PubChem CID119274507
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC Name(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(C)CCOc1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-3-11(15)13(17)16(2)8-9-18-12-7-5-4-6-10(12)14;/h4-7,11H,3,8-9,15H2,1-2H3;1H/t11-;/m0./s1
InChIKeyCWDXZNRPZCWHTO-MERQFXBCSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
2-amino-3-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 120986832
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
2-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 79805740
4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120587497
(2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide
CID 126423069
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride (CID 119274507) is (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride is CC[C@H](N)C(=O)N(C)CCOc1ccccc1F.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride?
The InChIKey is CWDXZNRPZCWHTO-MERQFXBCSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-3-11(15)13(17)16(2)8-9-18-12-7-5-4-6-10(12)14;/h4-7,11H,3,8-9,15H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride?
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119274507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).